PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethyl phosphite
1986 Trimethyl phosphite
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ΔHf: -168.3 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.0 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PM7
Trimethyl phosphite
H=-168.3 HR=C&P1970 I=9. IR=LLNBS82
XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0
O 1.67579686 +1 123.1240163 +1 0.0000000 +0 2 1 0
O 1.67579686 +0 123.1240163 +0 120.0000000 +0 2 1 3
O 1.67579686 +0 123.1240163 +0 -120.0000000 +0 2 1 3
C 1.44678086 +1 118.3113281 +1 0.0000000 +0 3 2 1
C 1.44678086 +0 118.3113281 +0 0.0000000 +0 4 2 1
C 1.44678086 +0 118.3113281 +0 0.0000000 +0 5 2 1
H 1.09927544 +1 109.1693226 +1 -62.7220513 +1 6 3 2
H 1.09927544 +0 109.1693226 +0 61.6100199 +1 6 3 2
H 1.09927544 +0 109.1693226 +0 179.4384895 +1 6 3 2
H 1.09927544 +0 109.1693226 +0 -62.3844521 +1 7 4 2
H 1.09927544 +0 109.1693226 +0 61.9493054 +1 7 4 2
H 1.09927544 +0 109.1693226 +0 179.7722527 +1 7 4 2
H 1.09927544 +0 109.1693226 +0 61.7976047 +1 8 5 2
H 1.09927544 +0 109.1693226 +0 179.6237551 +1 8 5 2
H 1.09927544 +0 109.1693226 +0 -62.5402861 +1 8 5 2